N-(1-chloro-4,4-dimethylpentan-3-yl)-2-(3-ethoxycyclobutyl)acetamide

C15H28ClNO2 — CID 106355819

IUPACN-(1-chloro-4,4-dimethylpentan-3-yl)-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)NC(CCCl)C(C)(C)C)C1
InChIInChI=1S/C15H28ClNO2/c1-5-19-12-8-11(9-12)10-14(18)17-13(6-7-16)15(2,3)4/h11-13H,5-10H2,1-4H3,(H,17,18)
InChIKeySDHJWPITORSLNS-UHFFFAOYSA-N
MW289.85 g/mol
LogP3.35
Rot. Bonds7

About N-(1-chloro-4,4-dimethylpentan-3-yl)-2-(3-ethoxycyclobutyl)acetamide

N-(1-chloro-4,4-dimethylpentan-3-yl)-2-(3-ethoxycyclobutyl)acetamide (PubChem CID 106355819) has the molecular formula C15H28ClNO2 and a molecular weight of 289.85 g/mol. Its IUPAC name is N-(1-chloro-4,4-dimethylpentan-3-yl)-2-(3-ethoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-(1-chloro-4,4-dimethylpentan-3-yl)-2-(3-ethoxycyclobutyl)acetamide
PubChem CID106355819
Molecular FormulaC15H28ClNO2
Molecular Weight289.85 g/mol
Exact Mass289.18
IUPAC NameN-(1-chloro-4,4-dimethylpentan-3-yl)-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)NC(CCCl)C(C)(C)C)C1
InChIInChI=1S/C15H28ClNO2/c1-5-19-12-8-11(9-12)10-14(18)17-13(6-7-16)15(2,3)4/h11-13H,5-10H2,1-4H3,(H,17,18)
InChIKeySDHJWPITORSLNS-UHFFFAOYSA-N
XLogP3.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.85
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[[2-(3-ethoxycyclobutyl)acetyl]amino]-4,4-dimethylpentanoic acid
CID 103162128
N-(4-chloropentan-2-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 103166851
N-(1-chloro-2-methylpropan-2-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 103166695
N-(3-chloropropyl)-2-(3-ethoxycyclobutyl)acetamide
CID 103164383
N-butan-2-yl-2-(3-ethoxycyclobutyl)acetamide
CID 103164593
2-(3-ethoxycyclobutyl)-N-[(2S)-1-hydroxypropan-2-yl]acetamide
CID 103164701
N-(1-aminopropan-2-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 103164943
N-(1-chloro-4,4-dimethylpentan-3-yl)-3-cyclopentylpropanamide
CID 106355641
(2R)-2-[[2-(3-ethoxycyclobutyl)acetyl]amino]hexanedioic acid
CID 107831676
N-(1-chloro-4,4-dimethylpentan-3-yl)-2-propylpentanamide
CID 106355550
2-(3-ethoxycyclobutyl)-N-(2-hydroxypentyl)acetamide
CID 103164764
2-[[2-(3-ethoxycyclobutyl)acetyl]amino]acetic acid
CID 103161702

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4,4-dimethylpentan-3-yl)-2-(3-ethoxycyclobutyl)acetamide?
The IUPAC name of N-(1-chloro-4,4-dimethylpentan-3-yl)-2-(3-ethoxycyclobutyl)acetamide (CID 106355819) is N-(1-chloro-4,4-dimethylpentan-3-yl)-2-(3-ethoxycyclobutyl)acetamide.
What is the SMILES notation for N-(1-chloro-4,4-dimethylpentan-3-yl)-2-(3-ethoxycyclobutyl)acetamide?
The canonical SMILES for N-(1-chloro-4,4-dimethylpentan-3-yl)-2-(3-ethoxycyclobutyl)acetamide is CCOC1CC(CC(=O)NC(CCCl)C(C)(C)C)C1.
What is the InChIKey of N-(1-chloro-4,4-dimethylpentan-3-yl)-2-(3-ethoxycyclobutyl)acetamide?
The InChIKey is SDHJWPITORSLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClNO2/c1-5-19-12-8-11(9-12)10-14(18)17-13(6-7-16)15(2,3)4/h11-13H,5-10H2,1-4H3,(H,17,18).
What are the key properties of N-(1-chloro-4,4-dimethylpentan-3-yl)-2-(3-ethoxycyclobutyl)acetamide?
N-(1-chloro-4,4-dimethylpentan-3-yl)-2-(3-ethoxycyclobutyl)acetamide has a molecular weight of 289.85 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4,4-dimethylpentan-3-yl)-2-(3-ethoxycyclobutyl)acetamide is sourced from PubChem (CID 106355819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).